SCHEMBL4034472

SCHEMBL4034472

O=C(O)Oc1cc(CNc2ccccc2C(=O)Nc2ccc3cn[nH]c3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
JAK2 O60674 2/20 0.52
JAK1 P23458 1/20 0.52
KDR P35968 6/20 0.49
FLT1 P17948 4/20 0.49
KIT P10721 11/20 0.48
BRAF P15056 10/20 0.48
CFTR P13569 1/20 0.48
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6624730 0.93 JAK2 (0.61) NPC1RAB9AJAK2JAK1KDR
SCHEMBL4042755 0.92 NPC1 (0.52) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL4034467 0.86 NPC1 (0.55) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL3876110 0.85 NPC1 (0.56) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL6543870 0.84 KIT (0.63) NPC1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL4032272 0.83 KIT (0.47) KDRFLT1KITBRAF
SCHEMBL4036551 0.80 KIT (0.48) KDRFLT1KITBRAF
SCHEMBL4040691 0.79 JAK3 (0.51) KITBRAFJAK3IRAK4
SCHEMBL6543933 0.79 JAK2 (0.64) NPC1RAB9AJAK2JAK1KDR
SCHEMBL4036769 0.79 FLT1 (0.48) KDRFLT1KITBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed
EP-1392680-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002090352-A2 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 SCHERING AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed